3,4-dimethoxy-N-[4-[2-methyl-1-(2-phenoxypropanoylamino)propan-2-yl]phenyl]benzamide

C28H32N2O5 — CID 67545094

IUPAC3,4-dimethoxy-N-[4-[2-methyl-1-(2-phenoxypropanoylamino)propan-2-yl]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C(C)(C)CNC(=O)C(C)Oc3ccccc3)cc2)cc1OC
InChIInChI=1S/C28H32N2O5/c1-19(35-23-9-7-6-8-10-23)26(31)29-18-28(2,3)21-12-14-22(15-13-21)30-27(32)20-11-16-24(33-4)25(17-20)34-5/h6-17,19H,18H2,1-5H3,(H,29,31)(H,30,32)
InChIKeyMKSYBJPGYVIPLQ-UHFFFAOYSA-N
MW476.57 g/mol
LogP4.82
Rot. Bonds10

About 3,4-dimethoxy-N-[4-[2-methyl-1-(2-phenoxypropanoylamino)propan-2-yl]phenyl]benzamide

3,4-dimethoxy-N-[4-[2-methyl-1-(2-phenoxypropanoylamino)propan-2-yl]phenyl]benzamide (PubChem CID 67545094) has the molecular formula C28H32N2O5 and a molecular weight of 476.57 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[4-[2-methyl-1-(2-phenoxypropanoylamino)propan-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[4-[2-methyl-1-(2-phenoxypropanoylamino)propan-2-yl]phenyl]benzamide
PubChem CID67545094
Molecular FormulaC28H32N2O5
Molecular Weight476.57 g/mol
Exact Mass476.23
IUPAC Name3,4-dimethoxy-N-[4-[2-methyl-1-(2-phenoxypropanoylamino)propan-2-yl]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C(C)(C)CNC(=O)C(C)Oc3ccccc3)cc2)cc1OC
InChIInChI=1S/C28H32N2O5/c1-19(35-23-9-7-6-8-10-23)26(31)29-18-28(2,3)21-12-14-22(15-13-21)30-27(32)20-11-16-24(33-4)25(17-20)34-5/h6-17,19H,18H2,1-5H3,(H,29,31)(H,30,32)
InChIKeyMKSYBJPGYVIPLQ-UHFFFAOYSA-N
XLogP4.82
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.57
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dimethoxy-N-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]benzamide
CID 67546361
N-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1H-indole-2-carboxamide
CID 90873510
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3,4-dimethoxybenzamide
CID 15994045
N-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1-methyl-4-phenylpyrazole-3-carboxamide
CID 67546780
4-ethoxy-3-methoxy-N-(2-methyl-2-phenylpropyl)benzamide
CID 39700417
N-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]pyridine-3-carboxamide;thiophene-2-carboxylic acid
CID 69045462
N-(3,4-dimethoxyphenyl)-4-(2-phenoxyethoxy)benzamide
CID 54781369
N-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 91425689
[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] pyrimidine-2-carboxylate
CID 175265795
4-(difluoromethoxy)-3-methoxy-N-phenylbenzamide
CID 2171846
N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3,4-dimethoxybenzamide;thiophene-3-carboxylic acid
CID 69047947
4-methoxy-3-phenoxy-N-phenylbenzamide
CID 18626251

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[4-[2-methyl-1-(2-phenoxypropanoylamino)propan-2-yl]phenyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[4-[2-methyl-1-(2-phenoxypropanoylamino)propan-2-yl]phenyl]benzamide (CID 67545094) is 3,4-dimethoxy-N-[4-[2-methyl-1-(2-phenoxypropanoylamino)propan-2-yl]phenyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[4-[2-methyl-1-(2-phenoxypropanoylamino)propan-2-yl]phenyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[4-[2-methyl-1-(2-phenoxypropanoylamino)propan-2-yl]phenyl]benzamide is COc1ccc(C(=O)Nc2ccc(C(C)(C)CNC(=O)C(C)Oc3ccccc3)cc2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[4-[2-methyl-1-(2-phenoxypropanoylamino)propan-2-yl]phenyl]benzamide?
The InChIKey is MKSYBJPGYVIPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O5/c1-19(35-23-9-7-6-8-10-23)26(31)29-18-28(2,3)21-12-14-22(15-13-21)30-27(32)20-11-16-24(33-4)25(17-20)34-5/h6-17,19H,18H2,1-5H3,(H,29,31)(H,30,32).
What are the key properties of 3,4-dimethoxy-N-[4-[2-methyl-1-(2-phenoxypropanoylamino)propan-2-yl]phenyl]benzamide?
3,4-dimethoxy-N-[4-[2-methyl-1-(2-phenoxypropanoylamino)propan-2-yl]phenyl]benzamide has a molecular weight of 476.57 g/mol, XLogP of 4.82, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[4-[2-methyl-1-(2-phenoxypropanoylamino)propan-2-yl]phenyl]benzamide is sourced from PubChem (CID 67545094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).